Tetrakis(decyl)ammonium bromide（TDAB） - for ion pair chromatography, ≥99% , CAS No.14937-42-9

CAS: 14937-42-9 Cat. No.: T120741 Molecular Weight: 659.01 Beilstein Registry Number: 5842649 EC Number: 239-013-3

GRADE & PURITY for Ion pair chromatography, ≥99%

Synonyms

etra(decyl)ammonium Bromide

Storage

Room temperature,Argon charged,Cool

Shipped In

Normal

Specifications

Synonyms

etra(decyl)ammonium Bromide

Specifications & Purity

for ion pair chromatography, ≥99%

Storage

Room temperature, Argon charged, Cool

Shipped In

Normal

Grade

for Ion pair chromatography

Purity

≥99%

Names and Identifiers

• Canonical Smiles: CCCCCCCCCC[N+](CCCCCCCCCC)(CCCCCCCCCC)CCCCCCCCCC.[Br-]
• IUPAC Name: tetrakis-decylazanium;bromide
• InChIKey: AHNISXOXSNAHBZ-UHFFFAOYSA-M
• INCHI: 1S/C40H84N.BrH/c1-5-9-13-17-21-25-29-33-37-41(38-34-30-26-22-18-14-10-6-2,39-35-31-27-23-19-15-11-7-3)40-36-32-28-24-20-16-12-8-4;/h5-40H2,1-4H3;1H/q+1;/p-1
• Isomeric SMILES: CCCCCCCCCC[N+](CCCCCCCCCC)(CCCCCCCCCC)CCCCCCCCCC.[Br-]
• WGK Germany: 3
• Molecular Weight: 659.01
• Beilstein: 5842649

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic nitrogen compounds
    • Class Organonitrogen compounds
      • Subclass Quaternary ammonium salts

• Kingdom: Organic compounds
• Superclass: Organic nitrogen compounds
• Class: Organonitrogen compounds
• Subclass: Quaternary ammonium salts
• Intermediate Tree Nodes: Not available
• Direct Parent: Tetraalkylammonium salts
• Alternative Parents: Organic bromide salts Hydrocarbon derivatives Amines Organic cations
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Tetraalkylammonium salt - Hydrocarbon derivative - Organic bromide salt - Organic salt - Amine - Organic cation - Aliphatic acyclic compound
• Description: This compound belongs to the class of organic compounds known as tetraalkylammonium salts. These are organonitrogen compounds containing a quaternary ammonium substituted with four alkyl chains.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Chemical and Physical Properties

• Sensitivity: Hygroscopic
• Melt Point(°C): 86.0 -90.0 °C
• Molecular Weight: 659.000 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 36
• Exact Mass: 657.579 Da
• Monoisotopic Mass: 657.579 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 42
• Formal Charge: 0
• Complexity: 372.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 2

XLogP3

References

1. Binwang Yang, Zhixiong Ye, Feiyu Lu, Jianna Yu, Jiaxu Liu, Xiuqing Zheng, Cheng Wang, Lian Duan, Zhijian Yang, Guoxing Jing, Wen Liu, Wenshan Li, Wenjie Liu.  (2024)  High Resolving Power Electrospray Ionization Ion Mobility Spectrometer Based on Fourier Deconvolution Multiplexing.  ANALYTICAL CHEMISTRY,      [PMID:39413295] [10.1021/acs.analchem.4c04549]